SCHEMBL3907291

SCHEMBL3907291

CCOC(=O)c1c(C(C)C)oc(C)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.46
PRKCZ Q05513 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 2/20 0.42
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5751048 0.82 IDO1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3907147 0.79 ALDH1A1 (0.51) GRM6MAPTMEN1KMT2AKDM4E
SCHEMBL2648212 0.76 GCGR (0.62) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL3908600 0.75 KDM4E (0.43) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL2662901 0.74 GRM6 (0.46) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL2648462 0.72 GRM6 (0.44) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL10396292 0.72 TP53 (0.58) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL22730883 0.72 ALDH1A1 (0.60) GRM6PRKCZMAPTMEN1KMT2A
SCHEMBL13791074 0.72 GCGR (0.52) GCGR
SCHEMBL2662902 0.72 GCGR (0.55) GRM6PRKCZMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP GRM6 3509/4885PRKCZ 2764/4885MAPT 2688/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 GRM6 1900/4885PRKCZ 3129/4885MAPT 4697/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.